1XNJ
APS complex of human PAPS synthetase 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-17 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.500, 82.500, 133.000 |
| Unit cell angles | 90.00, 105.00, 90.00 |
Refinement procedure
| Resolution | 129.100 - 1.980 |
| R-factor | 0.187 |
| Rwork | 0.184 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT WITH INITIAL MERCURY PHASES |
| Starting model (for MR) | 1x6v |
| RMSD bond length | 0.036 |
| RMSD bond angle | 2.610 |
| Data reduction software | XDS |
| Data scaling software | X-GEN |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.100 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 108016 | |
| <I/σ(I)> | 12.8 | 2.11 |
| Completeness [%] | 94.5 | 75.9 |
| Redundancy | 7.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 290 | 1 mM APS soaked for 1 hour, pH 5.60, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
